cyclopropylmethyl-[[4-methoxy-2-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: cyclopropylmethyl-[[4-methoxy-2-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: cyclopropylmethyl-[[2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: cyclopropylmethyl-[[2-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: cyclopropylmethyl-[[2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: cyclopropylmethyl-[2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]ammonium Formula: C20H35N3O3+2 MolecularWeight: 365.5102

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(COC2=C(C=CC(=C2)OC)C[NH2+]CC3CC3)O

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@H](COC2=C(C=CC(=C2)OC)C[NH2+]CC3CC3)O

InChI

InChI=1S/C20H33N3O3/c1-22-7-9-23(10-8-22)14-18(24)15-26-20-11-19(25-2)6-5-17(20)13-21-12-16-3-4-16/h5-6,11,16,18,21,24H,3-4,7-10,12-15H2,1-2H3/p+2/t18-/m1/s1